4-[4-(3,4,5-trimethoxyphenyl)carbonyl-1,3-thiazol-2-yl]benzenecarbonitrile

Systemtic Name: 4-[4-(3,4,5-trimethoxyphenyl)carbonyl-1,3-thiazol-2-yl]benzenecarbonitrile Openeye Name: 4-[4-(3,4,5-trimethoxybenzoyl)thiazol-2-yl]benzonitrile CAS Name: 4-[4-[oxo-(3,4,5-trimethoxyphenyl)methyl]-2-thiazolyl]benzonitrile IUPAC Name: 4-[4-(3,4,5-trimethoxybenzoyl)-1,3-thiazol-2-yl]benzonitrile Traditional Name: 4-[4-(3,4,5-trimethoxybenzoyl)thiazol-2-yl]benzonitrile Formula: C20H16N2O4S MolecularWeight: 380.41704

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)C2=CSC(=N2)C3=CC=C(C=C3)C#N

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)C2=CSC(=N2)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C20H16N2O4S/c1-24-16-8-14(9-17(25-2)19(16)26-3)18(23)15-11-27-20(22-15)13-6-4-12(10-21)5-7-13/h4-9,11H,1-3H3